In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2011 | 24 | Yes |
Popular Name: (3R)-N-[(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]-1-oxo-isochromane-3-carboxamide (3R)-N-[(2S)-2-(dimethylamino)-2…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.37 | 9.31 | -54.7 | 2 | 5 | 1 | 60 | 345.444 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.37 | 6.79 | -16.84 | 1 | 5 | 0 | 59 | 344.436 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.